1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol

C11H20F3NO2 — CID 113449104

IUPAC1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)N(CC(O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-8(2)15(7-11(12,13)14)5-10(16)9-3-4-17-6-9/h8-10,16H,3-7H2,1-2H3
InChIKeyZSJNCASRRHOUDH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.66
Rot. Bonds5

About 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol

1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 113449104) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID113449104
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)N(CC(O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-8(2)15(7-11(12,13)14)5-10(16)9-3-4-17-6-9/h8-10,16H,3-7H2,1-2H3
InChIKeyZSJNCASRRHOUDH-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 113449104) is 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol is CC(C)N(CC(O)C1CCOC1)CC(F)(F)F.
What is the InChIKey of 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZSJNCASRRHOUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(2)15(7-11(12,13)14)5-10(16)9-3-4-17-6-9/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 255.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 113449104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).